SCHEMBL676712

SCHEMBL676712

COc1ncc(Cl)c(C)c1Br

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
PLAU P00749 1/20 0.33
CCR4 P51679 11/20 0.33
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
APEX1 P27695 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
S100A9 P06702 1/20 0.32
DRD1 P21728 2/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25348528 0.82 CA2 (0.34) DAOCCR4LMNACYP2C9TSHR
SCHEMBL15004234 0.81 DAO (0.36) DAOPLAUCCR4LMNACYP2C9
SCHEMBL12140992 0.79 PLAU (0.43) DAOPLAUCCR4LMNACYP2C9
SCHEMBL21634877 0.79 GAA (0.32) TSHR
SCHEMBL27897072 0.78 KMT2A (0.37) SMN1; SMN2PIK3CAMTOR
SCHEMBL27973006 0.78 DAO (0.34) DAOPLAUCCR4LMNACYP2C9
SCHEMBL676596 0.76 DAO (0.33) DAOPLAUCCR4LMNACYP2C9
SCHEMBL27641249 0.76 CA2 (0.33) DAOCCR4LMNACYP2C9TSHR
SCHEMBL14853132 0.76 PIK3CA (0.34) DAOPIK3CAMTOR
SCHEMBL27973179 0.75 LMNA (0.34) DAOPLAUCCR4LMNACYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112441967-B Preparation method of methoxybenzene cry bacterial intermediate 南北兄弟药业投资有限公司 2024-10-29 CN disclosed
CN-116640092-A Benzyloxy substituted bipyridine methanone compound and application thereof 南北兄弟药业投资有限公司 2023-08-25 CN disclosed
CN-112441967-A Preparation method of methoxybenzene cry bacterial intermediate 南北兄弟药业投资有限公司 2021-03-05 CN disclosed
US-20170188579-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA (JP) 2017-07-06 US disclosed
US-9655362-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2017-05-23 US disclosed
EP-2769980-B1 PYRAZOLOQUINOLINE DERIVATIVE AS PDE9 INHIBITORS EISAI R&D MAN CO LTD (JP) 2016-02-03 EP disclosed
EP-2769980-B1 PYRAZOLOQUINOLINE DERIVATIVE AS PDE9 INHIBITORS EISAI R&D MAN CO LTD (JP) 2016-02-03 EP disclosed
EP-1679003-B1 BACTERICIDE COMPOSITION AND METHOD OF CONTROLLING PLANT DISEASE ISHIHARA SANGYO KAISHA (JP) 2015-04-15 EP disclosed
EP-2769980-A1 PYRAZOLOQUINOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2014-08-27 EP disclosed
EP-2769980-A1 PYRAZOLOQUINOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2014-08-27 EP disclosed
US-20130143907-A1 PYRAZOLOQUINOLINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-06-06 US disclosed
US-20130143907-A1 PYRAZOLOQUINOLINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-06-06 US disclosed
US-20130143907-A1 PYRAZOLOQUINOLINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-06-06 US disclosed
WO-2013051639-A1 PYRAZOLOQUINOLINE DERIVATIVE エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) 2013-04-11 WO disclosed
US-20120135088-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-05-31 US disclosed
US-20110280959-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-11-17 US disclosed
EP-2338335-A1 Preparation of fungicidal benzoylpyridine derivatives ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-06-29 EP disclosed
US-20090247763-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-10-01 US disclosed
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-08-31 US disclosed
EP-1679003-A1 BACTERICIDE COMPOSITION AND METHOD OF CONTROLLING PLANT DISEASE ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-07-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090247763-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CBR1, CNPY2 DAO 9/4885PLAU 4859/4885CCR4 1611/4885
US-20120135088-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH DAO 14/4885PLAU 4842/4885CCR4 1182/4885
US-20130143907-A1 PYRAZOLOQUINOLINE DERIVATIVES PDE2A, PDE3A, PDE3B DAO 1598/4885PLAU 2095/4885CCR4 3760/4885
US-20110280959-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH DAO 14/4885PLAU 4842/4885CCR4 1182/4885
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases CBR3, CNPY2, PAH DAO 14/4885PLAU 4842/4885CCR4 1182/4885
US-20170188579-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH DAO 14/4885PLAU 4842/4885CCR4 1182/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.